Unified analytical treatment of two-electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals


Guseinov I.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol.100, no.2, pp.206-207, 2004 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 100 Issue: 2
  • Publication Date: 2004
  • Doi Number: 10.1002/qua.20225
  • Journal Name: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.206-207

Abstract

The complete orthonormal sets of psi(alpha)-exponential-type orbitals (ETOs) (alpha = 1, 0, -1, -2,...) introduced by the author for expanding Slater-type orbitals (STOs) enable two-electron multicenter integrals of arbitrary central and noncentral interaction potentials (CIPs and NCIPs) to be reduced to one-center two-electron integrals. These one-center integrals are advantageously reduced using Fourier convolution methods. (C) 2004 Wiley Periodicals, Inc.